SCHEMBL10454124

SCHEMBL10454124

COC(=O)c1cnn(-c2nc(C)ns2)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4-c4nc(C)ns4)c3N)ncn2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 9/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ SPR P35270 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ PPARG P37231 1/20 0.31
▸ NCOA2 Q15596 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ ATM Q13315 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9972809 0.94 NPC1 (0.39) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL14845501 0.87 NPC1 (0.38) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10454156 0.85 NPC1 (0.43) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10453828 0.84 NPC1 (0.46) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10453869 0.84 NPC1 (0.47) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10167890 0.84 MAPT (0.36) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL16329556 0.83 RAB9A (0.53) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10454125 0.83 NPC1 (0.45) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10453867 0.82 NPC1 (0.44) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL10453727 0.82 NPC1 (0.49) NPC1RAB9AALDH1A1MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415409-B2 Radiation-curable ink composition for inkjet recording, inkjet recording method, and printed matter FUJIFILM CORPORATION (JP) 2013-04-09 — — US disclosed
US-8222326-B2 Water-based ink composition for inkjet recording FUJIFILM CORPORATION (JP) 2012-07-17 — — US disclosed
US-20100240812-A1 OIL-BASED INKJET RECORDING INK FUJIFILM CORPORATION (JP) 2010-09-23 — — US disclosed
US-20100221506-A1 RADIATION-CURABLE INK COMPOSITION FOR INKJET RECORDING,INKJET RECORDING METHOD, AND PRINTED MATTER FUJIFILM CORPORATION (JP) 2010-09-02 — — US disclosed
US-20100160504-A1 WATER-BASED INK COMPOSITION FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2010-06-24 — — US disclosed
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